Basic information
- CAS
6744-56-5- Standard SMILES
CCCC1(C)CC(O)C(C)O1- InChIKey
YLSKCDRHHSJFSI-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Names & identifiers
- Preferred name
- 1,4-Anhydro-2,5-dideoxy-1-methyl-1-propylpentitol
- IUPAC
- 2,5-dimethyl-5-propyloxolan-3-ol
Names & synonyms
6744-56-5DTXSID409867131,4-Anhydro-2,5-dideoxy-1-methyl-1-propylpentitolRefChem:1053146DTXCID8014138902,5-Dimethyl-5-propyltetrahydro-3-furanol3-FURANOL, TETRAHYDRO-2,5-DIMETHYL-5-PROPYL-
Database identifiers
- CAS
6744-56-5- PubChem CID
- 23196
- DTXSID
DTXSID40986713
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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